2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide

C15H13FN6O3 — CID 30823180

IUPAC2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
SMILESO=C(Cn1nnc(-c2cccc(F)c2)n1)NC(=O)NCc1ccco1
InChIInChI=1S/C15H13FN6O3/c16-11-4-1-3-10(7-11)14-19-21-22(20-14)9-13(23)18-15(24)17-8-12-5-2-6-25-12/h1-7H,8-9H2,(H2,17,18,23,24)
InChIKeyUCCBWJCMVVYJDU-UHFFFAOYSA-N
MW344.31 g/mol
LogP1.10
Rot. Bonds5

About 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide

2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide (PubChem CID 30823180) has the molecular formula C15H13FN6O3 and a molecular weight of 344.31 g/mol. Its IUPAC name is 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
PubChem CID30823180
Molecular FormulaC15H13FN6O3
Molecular Weight344.31 g/mol
Exact Mass344.10
IUPAC Name2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
SMILESO=C(Cn1nnc(-c2cccc(F)c2)n1)NC(=O)NCc1ccco1
InChIInChI=1S/C15H13FN6O3/c16-11-4-1-3-10(7-11)14-19-21-22(20-14)9-13(23)18-15(24)17-8-12-5-2-6-25-12/h1-7H,8-9H2,(H2,17,18,23,24)
InChIKeyUCCBWJCMVVYJDU-UHFFFAOYSA-N
XLogP1.10
TPSA114.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.31
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-fluorobenzoyl)-N-(2-furylmethyl)-3-phenyl-1H-1,2,4-triazol-5-amine
CID 1298375
2-[5-(4-Ethoxy-phenyl)-tetrazol-2-yl]-N-furan-2-ylmethyl-acetamide
CID 644706
2-[5-(4-butoxyphenyl)-2-tetrazolyl]-N-(2-furanylmethyl)acetamide
CID 644791
2-Fluoro-N-[2-(2-{[(furan-2-ylmethyl)-carbamoyl]-methyl}-2H-tetrazol-5-yl)-phenyl]-benzamide
CID 648374
N-tert-Butyl-2-(4-fluoro-phenyl)-2-[{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-(tetrahydro-furan-2-ylmethyl)-amino]-acetamide
CID 651396
2-[5-(4-chlorophenyl)-2H-tetrazol-2-yl]-N-(2-furylmethyl)acetamide
CID 863227
N-[4-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-methylbutanamide
CID 1440069
N-(furan-2-ylmethylcarbamoyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 2103853
N-Cyclopentyl-2-(4-fluoro-phenyl)-2-[{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-(tetrahydro-furan-2-ylmethyl)-amino]-acetamide
CID 3174716
N-Cyclohexyl-2-(4-fluoro-phenyl)-2-[{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-(tetrahydro-furan-2-ylmethyl)-amino]-acetamide
CID 3174854
2-(4-Fluoro-phenyl)-2-[{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-(tetrahydro-furan-2-ylmethyl)-amino]-N-(tetrahydro-furan-2-ylmethyl)-acetamide
CID 3175006
N-tert-butyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]butanamide
CID 3178683

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide?
The IUPAC name of 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide (CID 30823180) is 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide?
The canonical SMILES for 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide is O=C(Cn1nnc(-c2cccc(F)c2)n1)NC(=O)NCc1ccco1.
What is the InChIKey of 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide?
The InChIKey is UCCBWJCMVVYJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN6O3/c16-11-4-1-3-10(7-11)14-19-21-22(20-14)9-13(23)18-15(24)17-8-12-5-2-6-25-12/h1-7H,8-9H2,(H2,17,18,23,24).
What are the key properties of 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide?
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide has a molecular weight of 344.31 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide is sourced from PubChem (CID 30823180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).